Chemical equilibrium model of solution behavior and solubility in the H-Na-K-OH-Cl-HSO 4 -SO 4 -H 2 O system to high concentration and temperature 1 1Associate editor: D. J. Wesolowski

Christov, Christomir; Møller, Nancy

doi:10.1016/j.gca.2003.08.017

Cited by 112 publications

(98 citation statements)

References 66 publications

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“…Archer (1992) tabulated the thermodynamic properties of NaCl solutions over a wide range of temperature and concentration. Weare, Møller, and co-workers (Harvie and Weare 1980;Harvie et al 1984;Møller 1988;Greenberg and Møller 1989;Spencer et al 1990;Christov and Møller 2004) and others (Millero 1982;He and Morse 1993;Clegg and Whitfield 1995;Millero and Pierrot 1998;Pierrot and Millero 2000) also determined Pitzer parameters for most of the major components of brines. Excel versions of Pitzer equations for the major sea salts are available (Millero and Pierrot 1998).…”

Section: Other Physical-chemical Properties Of Brinesmentioning

confidence: 95%

“…The use of these equations for natural waters was pioneered by Weare, Møller, and co-workers. Their group (Harvie and Weare 1980;Harvie et al 1984;Felmy and Weare 1986;Weare 1987;Møller 1988;Greenberg and Møller 1989;Spencer et al 1990;Møller et al 1998;Christov and Møller 2004;Christov, 2001;Marion 2001;Christov et al 2007) and others (Whitfield 1979;Millero 1982;Pabalan and Pitzer 1987;Whitfield 1991, 1995;He and Morse 1993;Whitfield 1975a, b;Millero and Roy 1997;Pierrot 1998, 2007;Marion and Farren 1999) have produced a wealth of data that can be used to examine the activity coefficients of major and minor components of natural waters. Most of these studies have been made on the major sea salts over a wide range of temperature (0-250°C) and concentration (0 to saturation).…”

Section: Solid-liquid Equilibria In Brinesmentioning

confidence: 99%

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Thermodynamic and Kinetic Properties of Natural Brines

Millero

2008

Aquat Geochem

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The physical chemistry of natural brines made up of mostly NaCl has been studied over the years. In this article, the work on the thermodynamics and kinetics of processes in NaCl brines will be examined. The importance of ionic interactions of the processes will be stressed. This will include the pressure-volume-temperature and physicalchemical properties of NaCl and other brine salts from 0 to 6 m, 0 to 200°C, and 0 to 1,000 bar applied pressures. Acid-base, gas-liquid, solid-liquid, and ion-complex formation processes in NaCl are examined. Equations that can be used to estimate the equilibria in NaCl are given. Pitzer models are discussed that can be used to estimate ionic equilibria in brines. The oxidation of Fe(II) and Cu(I) with O 2 and H 2 O 2 and the reduction of Cu(II) with H 2 O 2 in NaCl are examined in terms of ionic complexes of metals with OHand CO 3 2-. The oxidation of H 2 S with O 2 and H 2 O 2 is also examined in NaCl media. Equations are given that can be used to estimate the effect of ionic interactions on kinetic processes in NaCl.

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Section: Other Physical-chemical Properties Of Brinesmentioning

confidence: 95%

Section: Solid-liquid Equilibria In Brinesmentioning

confidence: 99%

Thermodynamic and Kinetic Properties of Natural Brines

Millero

2008

Aquat Geochem

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“…For nearly incompressible aqueous mixtures, highly accurate EOS providing the mixing behavior of the system are available (Pitzer 1987;Weare 1987;Christov and Moller 2004). These approaches are largely phenomenological.…”

Section: Eos For Liquid Density Complex Mixtures Of Aqueous Electrolymentioning

confidence: 99%

“…For nearly incompressible aqueous mixtures, highly accurate EOS are available provided the mixing behavior of the system can be described (Pitzer 1987;Weare 1987;Christov and Moller 2004). Examples of the results of these models for complex mixtures are illustrated in Figure 27.…”

Section: Eos For Liquid Density Complex Mixtures Of Aqueous Electrolymentioning

confidence: 99%

Basic Research Needs for Geosciences: Facilitating 21st Century Energy Systems

DePaolo¹,

Orr²

2007

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“…Using a modified version of the original Pitzer model, based on a mole fraction scale instead of a molality scale, they modeled these data between 273.15 and 523.15 K and for molalities ranging from 0 to 249.786 molÁkg -1 . Christov and Møller [16] worked on the H-Na-K-OH-Cl-HSO 4 -SO 4 -H 2 O system at high temperature (523.15 K). The parameters for the NaOH-H 2 O system are valid up to 6 molÁkg -1 .…”

Section: Introductionmentioning

confidence: 99%

A New Pitzer Parameterization for the Binary NaOH–H2O and Ternary NaOH–NaCl–H2O and NaOH–LiOH–H2O Systems up to NaOH Solid Salt Saturation, from 273.15 to 523.15 K and at Saturated Vapor Pressure

et al. 2015

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This paper presents a new set of Pitzer ion interaction model parameters for the binary NaOH-H 2 O system for concentrations up to over 30 molÁkg -1 and temperatures ranging from 273.15 to 523.15 K. Assuming that the electrolyte is only partially dissociated, the model requires the adjustment of (i) the three classical binary interaction parameters b (0) , b (1) and C / , (ii) the equilibrium constant of formation of the aqueous complex NaOH 0 (aq), and iii) one binary (k NaOH/NaOH ) and one ternary (f NaOH=Na þ =OH À ) interaction parameter. This approach, which provides much better results than the approach of treating NaOH as a fully dissociated electrolyte, was chosen to extend the description of the system to high temperatures and high concentrations. The temperature functions of the solubility products of anhydrous NaOH(cr) and five hydrated salts, NaOHÁnH 2 O(cr) (where n = 1, 2, 3.11, 3.5, 4a), were determined. In order to evaluate the quality of the new set of Electronic supplementary material The online version of this article (parameters, several tests were run on various properties using various literature data. These include the boiling point elevation in the NaOH-H 2 O system and the phase diagrams of the two ternary systems NaOH-NaCl-H 2 O and NaOH-LiOH-H 2 O. Interaction parameters for the two related binary systems NaCl-H 2 O and LiOH-H 2 O were taken from previous studies. To ensure consistency, four new mixing parameters were revised (f Na þ =Cl À =NaOH and W Cl À =OH À =Na þ for the ternary system NaOH-NaCl-H 2 O and k Li þ =NaOH and W OH À =Na þ =Li þ for the ternary system NaOH-LiOH-H 2 O). Consistent with Pitzer's equations, our new set of parameters can be used to satisfactorily describe the quaternary Na ? -Li ? -Cl --OH --H 2 O system to very high concentrations and temperatures.

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Chemical equilibrium model of solution behavior and solubility in the H-Na-K-OH-Cl-HSO 4 -SO 4 -H 2 O system to high concentration and temperature 1 1Associate editor: D. J. Wesolowski

Cited by 112 publications

References 66 publications

Thermodynamic and Kinetic Properties of Natural Brines

Thermodynamic and Kinetic Properties of Natural Brines

Basic Research Needs for Geosciences: Facilitating 21st Century Energy Systems

A New Pitzer Parameterization for the Binary NaOH–H2O and Ternary NaOH–NaCl–H2O and NaOH–LiOH–H2O Systems up to NaOH Solid Salt Saturation, from 273.15 to 523.15 K and at Saturated Vapor Pressure

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